Q105276520

[object Object]
NameDihydroxy acetone
WikidataQ105276520
Mol. formulaC3H6O3
CAS registry number-
Mol. weight90.0781

Representations

Temporary LOTUS idLTS0145601
NameDihydroxy acetone
Canonical SMILESCC(=O)C(O)O
2D SMILESCC(=O)C(O)O
IUPAC name1,1-dihydroxypropan-2-one
InChIInChI=1S/C3H6O3/c1-2(4)3(5)6/h3,5-6H,1H3
InChIKeyUOQFZGVGGMHGEE-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworknot applicable

Organism taxonomy

Ref:
Ref:

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Metazoa  Chordata  Muridae  Mus  Mus musculus 
Ref:

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Apocynaceae  Catharanthus  Catharanthus roseus Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Metazoa  Chordata  Hominidae  Homo  Homo sapiens Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Vigna  Vigna radiata Wikidata logo
Ref:
Wikidata logo

DomainPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Bacteria  Actinobacteria  Streptomycetaceae  Streptomyces  Streptomyces tacrolimicus Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
CarbohydratesSaccharidesMonosaccharides

Molecular Properties

Total atom number12
Heavy atom number6
Bond count5
Number of carbons3
Minimal number of rings0
Maximal number of rings0

Molecular Descriptors

NP-likeness score 1.08
Alogp-1.04
Alogp21.09
Apol 11.6868
Bpol 7.5172
EccentricConnectivityIndexDescriptor 24
FmfDescriptor 0
Fsp3 0.6667
FragmentComplexityDescriptor 91.03
PetitjeanNumber 0.3333
LipinskiRuleOf5Failures 0
WienerPathNumber29
Xlogp -1.321
ZagrebIndex 22
TopoPSA 57.53